K 76 Cooh
TL;DR: K 76 Cooh (CAS 86401-80-1) is a chemical compound with molecular formula C23H30O7 and molecular weight 418.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,7R,8R,8aS)-6'-formyl-2,3,4'-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-7'-carboxylic acid
Also Known As: K 76 Cooh, 16, A-hydroxy-prednisonlone acetate, 16alpha-Hydroxyprednisonlone acetate, (2R,3S,7R,8R,8aS)-6'-formyl-2,3,4'-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-7'-carboxylic acid
| Molecular Formula | C23H30O7 |
|---|---|
| Molecular Weight | 418.20 g/mol |
| LogP | 2.7807 |
| Topological Polar Surface Area | 124.29 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 418.19916 |
| Heavy Atoms | 30 |
| Complexity | 922.61694 |
Chemical Identifiers
| CAS Number | 86401-80-1 |
|---|---|
| SMILES | C[C@@H]1CCC2[C@@]([C@@]13CC4=C(C=C(C(=C4O3)C(=O)O)C=O)O)(C[C@H]([C@H](C2(C)C)O)O)C |
Product Overview
K 76 Cooh (CAS 86401-80-1), with molecular formula C23H30O7 and molecular weight 418.20 g/mol. IUPAC: (2R,3S,7R,8R,8aS)-6'-formyl-2,3,4'-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-7'-carboxylic acid.
Chemical Property Profile of K 76 Cooh
Property Insights of K 76 Cooh
The XLogP value of 2.7807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for K 76 Cooh. The TPSA of 124.29 Ų falls within the moderate polarity range, balancing permeability and solubility for K 76 Cooh. Following Lipinski's Rule of Five, K 76 Cooh has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of K 76 Cooh?
The CAS number of K 76 Cooh is 86401-80-1.
What is the molecular formula of K 76 Cooh?
The molecular formula of K 76 Cooh is C23H30O7.
What is the molecular weight of K 76 Cooh?
The molecular weight of K 76 Cooh is 418.20 g/mol.
Where can I buy K 76 Cooh?
You can request a quote for K 76 Cooh directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for K 76 Cooh?
Yes, KEHONG BIO provides custom synthesis services for K 76 Cooh and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.